(αR)-4-Fluoro-α-[(3S)-4-methyl-3-[[(5-methyl-3-isoxazolyl)carbonyl]amino]-2-oxopentyl]-benzenepropanoic Acid - CAS 328086-55-1

Catalog:	BB056110
Product Name:	(αR)-4-Fluoro-α-[(3S)-4-methyl-3-[[(5-methyl-3-isoxazolyl)carbonyl]amino]-2-oxopentyl]-benzenepropanoic Acid
CAS:	328086-55-1
Synonyms:	(2R,5S)-2-[(4-fluorophenyl)methyl]-6-methyl-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-oxoheptanoic acid; (alphaR)-4-Fluoro-alpha-[(3S)-4-methyl-3-[[(5-methyl-3-isoxazolyl)carbonyl]amino]-2-oxopentyl]-benzenepropan; (2R,5S)-2-(4-Fluorobenzyl)-6-methyl-5-(5-methylisoxazole-3-carboxamido)-4-oxoheptanoic acid; (2R,5S)-2-(4-Fluorobenzyl)-4-oxo-5-[[(5-methylisoxazole-3-yl)carbonyl]amino]-6-methylheptanoic acid; (alphaR)-4-Fluoro-alpha-[(3S)-4-methyl-3-[[(5-methyl-3-isoxazolyl)carbonyl]amino]-2-oxopentyl]-benzenepropanoic acid

Technical Data

IUPAC Name:	(2R,5S)-2-[(4-fluorophenyl)methyl]-6-methyl-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-oxoheptanoic acid
Description:	Intermediate in the preparation of rhinovirus protease inhibitors.
Molecular Weight:	390.41
Molecular Formula:	C20H23FN2O5
Canonical SMILES:	CC1=CC(=NO1)C(=O)NC(C(C)C)C(=O)CC(CC2=CC=C(C=C2)F)C(=O)O
InChI:	InChI=1S/C20H23FN2O5/c1-11(2)18(22-19(25)16-8-12(3)28-23-16)17(24)10-14(20(26)27)9-13-4-6-15(21)7-5-13/h4-8,11,14,18H,9-10H2,1-3H3,(H,22,25)(H,26,27)/t14-,18+/m1/s1
InChI Key:	JFQOJCVRJLLFGZ-KDOFPFPSSA-N
Solubility:	Dichloromethane, Ethyl Acetate, Methanol
Appearance:	Yellow Solid

Complexity:	563
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	390.1591
Formal Charge:	0
Heavy Atom Count:	28
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	390.1591
Rotatable Bond Count:	9
Topological Polar Surface Area:	110Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3